SCHEMBL7993053

SCHEMBL7993053

COc1ccc(C(=O)N2CCN/C2=N/[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ GPR6 P46095 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CA12 O43570 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7993058 1.00 KMT2A (0.46) KMT2AMAPTKDM4EMEN1CYP1A2
SCHEMBL10832689 0.77 HSD17B10 (0.63) KMT2AMAPTKDM4EMEN1CYP1A2
SCHEMBL5198288 0.76 SMN1; SMN2 (0.45) HPGDSMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL10832444 0.76 GPR6 (0.46) KMT2AMAPTKDM4EMEN1CYP1A2
SCHEMBL10832451 0.75 GPR6 (0.45) KMT2AMAPTKDM4EMEN1CYP1A2
SCHEMBL10832587 0.73 SMN1; SMN2 (0.44) KMT2AMAPTKDM4EMEN1CYP1A2
SCHEMBL10831627 0.73 MAPT (0.44) KMT2AMAPTKDM4EMEN1CYP1A2
SCHEMBL7993674 0.72 GAA (0.41) SMN1; SMN2RAB9AALDH1A1CHRNA7GAA
SCHEMBL7993671 0.72 GAA (0.41) SMN1; SMN2RAB9AALDH1A1CHRNA7GAA
SCHEMBL7995603 0.72 GAA (0.41) SMN1; SMN2RAB9AALDH1A1CHRNA7GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 — — US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 — — US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 — — US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 — — US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 — — US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 — — US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 — — US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 — — US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 — — US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 — — US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 — — US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 — — EP disclosed
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